12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide

C19H27O6P — CID 11326525

IUPAC12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide
SMILESCc1cccc(OP2(=O)OCC3(COC4(CCCCC4)OC3)CO2)c1C
InChIInChI=1S/C19H27O6P/c1-15-7-6-8-17(16(15)2)25-26(20)23-13-18(14-24-26)11-21-19(22-12-18)9-4-3-5-10-19/h6-8H,3-5,9-14H2,1-2H3
InChIKeyNAWIAFGWNLNNPX-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.53
Rot. Bonds2

About 12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide

12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide (PubChem CID 11326525) has the molecular formula C19H27O6P and a molecular weight of 382.39 g/mol. Its IUPAC name is 12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide.

Molecular Properties

Compound Name12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide
PubChem CID11326525
Molecular FormulaC19H27O6P
Molecular Weight382.39 g/mol
Exact Mass382.15
IUPAC Name12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide
SMILESCc1cccc(OP2(=O)OCC3(COC4(CCCCC4)OC3)CO2)c1C
InChIInChI=1S/C19H27O6P/c1-15-7-6-8-17(16(15)2)25-26(20)23-13-18(14-24-26)11-21-19(22-12-18)9-4-3-5-10-19/h6-8H,3-5,9-14H2,1-2H3
InChIKeyNAWIAFGWNLNNPX-UHFFFAOYSA-N
XLogP4.53
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
3-bromo-1-(2,3-dimethylphenoxy)spiro[3.6]decane
CID 66344194
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7522603
3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol
CID 66367281
1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol
CID 155896822
4-(2-methylphenoxy)-1,3,2,4λ5-dioxathiaphosphetane 4-oxide
CID 70637086
2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759697
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
bis(2,3-dimethylphenyl) carbonate
CID 23435013
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412095
(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755970

Frequently Asked Questions

What is the IUPAC name of 12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide?
The IUPAC name of 12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide (CID 11326525) is 12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide.
What is the SMILES notation for 12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide?
The canonical SMILES for 12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide is Cc1cccc(OP2(=O)OCC3(COC4(CCCCC4)OC3)CO2)c1C.
What is the InChIKey of 12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide?
The InChIKey is NAWIAFGWNLNNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27O6P/c1-15-7-6-8-17(16(15)2)25-26(20)23-13-18(14-24-26)11-21-19(22-12-18)9-4-3-5-10-19/h6-8H,3-5,9-14H2,1-2H3.
What are the key properties of 12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide?
12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide has a molecular weight of 382.39 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide is sourced from PubChem (CID 11326525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).